2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione

C10H18N4O2 — CID 43410449

IUPAC2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione
SMILESCCCCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-4-5-6-7-11-8-9(15)13(2)10(16)14(3)12-8/h4-7H2,1-3H3,(H,11,12)
InChIKeyTWMIUKRGXITMRG-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.08
Rot. Bonds5

About 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione (PubChem CID 43410449) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione
PubChem CID43410449
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione
SMILESCCCCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-4-5-6-7-11-8-9(15)13(2)10(16)14(3)12-8/h4-7H2,1-3H3,(H,11,12)
InChIKeyTWMIUKRGXITMRG-UHFFFAOYSA-N
XLogP0.08
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione (CID 43410449) is 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione is CCCCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is TWMIUKRGXITMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-5-6-7-11-8-9(15)13(2)10(16)14(3)12-8/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 226.28 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).